Z6P
Summary
| Name: | 2-amino-N-cyclopropyl-5-(4-{[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide |
| Formula: | C24 H22 F2 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 452.453 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-N-cyclopropyl-5-(4-{[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-5-[4-[[(2~{R})-2-[3,5-bis(fluoranyl)phenyl]-2-oxidanyl-ethanoyl]amino]-2-methyl-phenyl]-~{N}-cyclopropyl-pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC1CC1)c1cc(cnc1N)c1ccc(NC(=O)C(O)c2cc(F)cc(F)c2)cc1C |
| InChI | InChI | 1.03 | InChI=1S/C24H22F2N4O3/c1-12-6-18(30-24(33)21(31)13-7-15(25)10-16(26)8-13)4-5-19(12)14-9-20(22(27)28-11-14)23(32)29-17-2-3-17/h4-11,17,21,31H,2-3H2,1H3,(H2,27,28)(H,29,32)(H,30,33)/t21-/m1/s1 |
| InChIKey | InChI | 1.03 | ZAEWPVUVQVUGEE-OAQYLSRUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1c3cnc(N)c(c3)C(=O)NC4CC4 |
| SMILES | CACTVS | 3.385 | Cc1cc(NC(=O)[CH](O)c2cc(F)cc(F)c2)ccc1c3cnc(N)c(c3)C(=O)NC4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1c2cc(c(nc2)N)C(=O)NC3CC3)NC(=O)[C@@H](c4cc(cc(c4)F)F)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1c2cc(c(nc2)N)C(=O)NC3CC3)NC(=O)C(c4cc(cc(c4)F)F)O |
